| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C7_S1 |
| Complex: GOL_A_8(3MGX) / Model_127(3MGX/A) = [3.1]
| Download | 661.43 | 13.83 | MKDKLHWLAMHGVIRGIAAIGIRRGDLQARLIADPAVATDPVPFYDEVRSHGALVRNRANYLTVDHRLAHDLLRSDDFRVVSFGENLPPPLRWLERRTRGDQLHPLREPSLLAVEPPDHTRYRKTVSAVFTSRAVSALRDLVEQTAINLLDRFAEQPGIVDVVGRYCSQLPIVVISEILGVPEHDRPRVLEFGELAAPSLDIGIPWRQYLRVQQGIRGFDCWLEGHLQQLRHAPGDDLMSQLIQIAESGDNETQLDETELRAIAGLVLVAGFETTVNLLGNGIRMLLDTPEHLATLRQHPELWPNTVEEILRLDSPVQLTARVACRDVEVAGVRIKRGEVVVIYLAAANRDPAVFPDPHRFDIERPNAGRHLAFSTGRHFCLGAALARAEGEVGLRTFFDRFPDVRAAGAGSRRDTRVLRGWSTLPVTLGPARSMVSP |
| Complex: EDO_C_26(3R9B) / Model_21(3R9B/C) = [3.1]
| Download | 530.47 | -16.71 | MKDKLHWLAMHGVIRGIAAIGIRRGDLQARLIADPAVATDPVPFYDEVRSHGALVRNRANYLTVDHRLAHDLLRSDDFRVVSFGENLPPPLRWLERRTRGDQLHPLREPSLLAVEPPDHTRYRKTVSAVFTSRAVSALRDLVEQTAINLLDRFAEQPGIVDVVGRYCSQLPIVVISEILGVPEHDRPRVLEFGELAAPSLDIGIPWRQYLRVQQGIRGFDCWLEGHLQQLRHAPGDDLMSQLIQIAESGDNETQLDETELRAIAGLVLVAGFETTVNLLGNGIRMLLDTPEHLATLRQHPELWPNTVEEILRLDSPVQLTARVACRDVEVAGVRIKRGEVVVIYLAAANRDPAVFPDPHRFDIERPNAGRHLAFSTGRHFCLGAALARAEGEVGLRTFFDRFPDVRAAGAGSRRDTRVLRGWSTLPVTLGPARSMVSP |
| Complex: D12_A_14(3R9B) / Model_11(3R9B/A) = [3.6]
| Download | 1055.48 | 40.09 | MKDKLHWLAMHGVIRGIAAIGIRRGDLQARLIADPAVATDPVPFYDEVRSHGALVRNRANYLTVDHRLAHDLLRSDDFRVVSFGENLPPPLRWLERRTRGDQLHPLREPSLLAVEPPDHTRYRKTVSAVFTSRAVSALRDLVEQTAINLLDRFAEQPGIVDVVGRYCSQLPIVVISEILGVPEHDRPRVLEFGELAAPSLDIGIPWRQYLRVQQGIRGFDCWLEGHLQQLRHAPGDDLMSQLIQIAESGDNETQLDETELRAIAGLVLVAGFETTVNLLGNGIRMLLDTPEHLATLRQHPELWPNTVEEILRLDSPVQLTARVACRDVEVAGVRIKRGEVVVIYLAAANRDPAVFPDPHRFDIERPNAGRHLAFSTGRHFCLGAALARAEGEVGLRTFFDRFPDVRAAGAGSRRDTRVLRGWSTLPVTLGPARSMVSP |
| Complex: HEM_A_2(1JIN) / Model_8(1JIN/A) = [10.5]
| Download | 646.08 | 35.76 | MKDKLHWLAMHGVIRGIAAIGIRRGDLQARLIADPAVATDPVPFYDEVRSHGALVRNRANYLTVDHRLAHDLLRSDDFRVVSFGENLPPPLRWLERRTRGDQLHPLREPSLLAVEPPDHTRYRKTVSAVFTSRAVSALRDLVEQTAINLLDRFAEQPGIVDVVGRYCSQLPIVVISEILGVPEHDRPRVLEFGELAAPSLDIGIPWRQYLRVQQGIRGFDCWLEGHLQQLRHAPGDDLMSQLIQIAESGDNETQLDETELRAIAGLVLVAGFETTVNLLGNGIRMLLDTPEHLATLRQHPELWPNTVEEILRLDSPVQLTARVACRDVEVAGVRIKRGEVVVIYLAAANRDPAVFPDPHRFDIERPNAGRHLAFSTGRHFCLGAALARAEGEVGLRTFFDRFPDVRAAGAGSRRDTRVLRGWSTLPVTLGPARSMVSP |
| Complex: HEM_A_2(1JIP) / Model_2(1JIP/A) = [11.0]
| Download | 546.38 | 36.85 | MKDKLHWLAMHGVIRGIAAIGIRRGDLQARLIADPAVATDPVPFYDEVRSHGALVRNRANYLTVDHRLAHDLLRSDDFRVVSFGENLPPPLRWLERRTRGDQLHPLREPSLLAVEPPDHTRYRKTVSAVFTSRAVSALRDLVEQTAINLLDRFAEQPGIVDVVGRYCSQLPIVVISEILGVPEHDRPRVLEFGELAAPSLDIGIPWRQYLRVQQGIRGFDCWLEGHLQQLRHAPGDDLMSQLIQIAESGDNETQLDETELRAIAGLVLVAGFETTVNLLGNGIRMLLDTPEHLATLRQHPELWPNTVEEILRLDSPVQLTARVACRDVEVAGVRIKRGEVVVIYLAAANRDPAVFPDPHRFDIERPNAGRHLAFSTGRHFCLGAALARAEGEVGLRTFFDRFPDVRAAGAGSRRDTRVLRGWSTLPVTLGPARSMVSP |
Consensus
[pKd Mean = 6.26] | - | 687
(s=190) | 21
(s=21) | MKDKLHWLAMHGVIRGIAAIGIRRGDLQARLIADPAVATDPVPFYDEVRSHGALVRNRANYLTVDHRLAHDLLRSDDFRVVSFGENLPPPLRWLERRTRGDQLHPLREPSLLAVEPPDHTRYRKTVSAVFTSRAVSALRDLVEQTAINLLDRFAEQPGIVDVVGRYCSQLPIVVISEILGVPEHDRPRVLEFGELAAPSLDIGIPWRQYLRVQQGIRGFDCWLEGHLQQLRHAPGDDLMSQLIQIAESGDNETQLDETELRAIAGLVLVAGFETTVNLLGNGIRMLLDTPEHLATLRQHPELWPNTVEEILRLDSPVQLTARVACRDVEVAGVRIKRGEVVVIYLAAANRDPAVFPDPHRFDIERPNAGRHLAFSTGRHFCLGAALARAEGEVGLRTFFDRFPDVRAAGAGSRRDTRVLRGWSTLPVTLGPARSMVSP |